N'-[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazin-1-ium-1-yl]-cyclohexyl-methyl]ethanimidamide hydrochloride

Systemtic Name: N'-[[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-piperazin-1-ium-1-yl]-cyclohexyl-methyl]ethanimidamide hydrochloride Openeye Name: N'-[[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-piperazin-1-ium-1-yl]-cyclohexyl-methyl]acetamidine hydrochloride CAS Name: N'-[[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-1-piperazin-1-iumyl]-cyclohexylmethyl]ethanimidamide hydrochloride IUPAC Name: N'-[[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxopiperazin-1-ium-1-yl]-cyclohexylmethyl]ethanimidamide hydrochloride Traditional Name: N'-[[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-piperazin-1-ium-1-yl]-cyclohexyl-methyl]acetamidine hydrochloride Formula: C23H31Cl2N4O3S+ MolecularWeight: 514.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C1CCCCC1)[N+]2(CCNC(=O)C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N.Cl

Isomeric SMILES

C/C(=N/C(C1CCCCC1)[N+]2(CCNC(=O)C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)/N.Cl

InChI

InChI=1S/C23H29ClN4O3S.ClH/c1-16(25)27-23(17-5-3-2-4-6-17)28(12-11-26-22(29)15-28)32(30,31)21-10-8-18-13-20(24)9-7-19(18)14-21;/h7-10,13-14,17,23H,2-6,11-12,15H2,1H3,(H2-,25,26,27,29);1H/p+1