4-azanyl-4-(6-chloranylnaphthalen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-yl-piperazin-4-ium-2-one dihydrochloride

Systemtic Name: 4-azanyl-4-(6-chloranylnaphthalen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-yl-piperazin-4-ium-2-one dihydrochloride Openeye Name: 4-amino-4-[(6-chloro-2-naphthyl)sulfonyl]-3-(4-piperidylmethyl)-1-(4-pyridyl)piperazin-4-ium-2-one dihydrochloride CAS Name: 4-amino-4-[(6-chloro-2-naphthalenyl)sulfonyl]-3-(4-piperidinylmethyl)-1-pyridin-4-yl-2-piperazin-4-iumone dihydrochloride IUPAC Name: 4-amino-4-(6-chloronaphthalen-2-yl)sulfonyl-3-(piperidin-4-ylmethyl)-1-pyridin-4-ylpiperazin-4-ium-2-one dihydrochloride Traditional Name: 4-amino-4-[(6-chloro-2-naphthyl)sulfonyl]-3-(4-piperidylmethyl)-1-(4-pyridyl)piperazin-4-ium-2-one dihydrochloride Formula: C25H31Cl3N5O3S+ MolecularWeight: 587.96934

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2C(=O)N(CC[N+]2(N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5.Cl.Cl

Isomeric SMILES

C1CNCCC1CC2C(=O)N(CC[N+]2(N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5.Cl.Cl

InChI

InChI=1S/C25H29ClN5O3S.2ClH/c26-21-3-1-20-17-23(4-2-19(20)16-21)35(33,34)31(27)14-13-30(22-7-11-29-12-8-22)25(32)24(31)15-18-5-9-28-10-6-18;;/h1-4,7-8,11-12,16-18,24,28H,5-6,9-10,13-15,27H2;2*1H/q+1;;