1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1,6-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one hydrochloride

Systemtic Name: 1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1,6-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one hydrochloride Openeye Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1,6-dimethyl-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one hydrochloride CAS Name: 1-amino-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1,6-dimethyl-3-(1-pyridin-4-yl-4-piperidinyl)-2-piperazin-1-iumone hydrochloride IUPAC Name: 1-amino-3-(6-chloronaphthalen-2-yl)sulfonyl-1,6-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one hydrochloride Traditional Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1,6-dimethyl-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one hydrochloride Formula: C26H32Cl2N5O3S+ MolecularWeight: 565.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C(=O)[N+]1(C)N)(C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl

Isomeric SMILES

CC1CNC(C(=O)[N+]1(C)N)(C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl

InChI

InChI=1S/C26H31ClN5O3S.ClH/c1-18-17-30-26(25(33)32(18,2)28,21-9-13-31(14-10-21)23-7-11-29-12-8-23)36(34,35)24-6-4-19-15-22(27)5-3-20(19)16-24;/h3-8,11-12,15-16,18,21,30H,9-10,13-14,17,28H2,1-2H3;1H/q+1;