[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2,2-dimethyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfonyl-2,2-dimethyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide Openeye Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-2,2-dimethyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide CAS Name: [4-[(6-chloro-2-naphthalenyl)sulfonyl]-2,2-dimethyl-3-(1-piperazinyl)-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonyl-2,2-dimethyl-3-piperazin-1-yl-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide Traditional Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-2,2-dimethyl-3-piperazino-3,4-dihydroisoquinolin-2-ium-1-ylidene]methanone iodide Formula: C26H27ClIN3O3S MolecularWeight: 623.93335

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(C(C2=CC=CC=C2C1=C=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N5CCNCC5)C.[I-]

Isomeric SMILES

C[N+]1(C(C(C2=CC=CC=C2C1=C=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N5CCNCC5)C.[I-]

InChI

InChI=1S/C26H27ClN3O3S.HI/c1-30(2)24(17-31)22-5-3-4-6-23(22)25(26(30)29-13-11-28-12-14-29)34(32,33)21-10-8-18-15-20(27)9-7-19(18)16-21;/h3-10,15-16,25-26,28H,11-14H2,1-2H3;1H/q+1;/p-1