ethyl N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-(piperidin-4-ylmethyl)piperazin-1-ium-1-yl]carbamate

Systemtic Name: ethyl N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-(piperidin-4-ylmethyl)piperazin-1-ium-1-yl]carbamate Openeye Name: ethyl N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-4-(4-piperidylmethyl)piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-4-(4-piperidinylmethyl)-1-piperazin-1-iumyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-4-(piperidin-4-ylmethyl)piperazin-1-ium-1-yl]carbamate Traditional Name: N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-4-(4-piperidylmethyl)piperazin-1-ium-1-yl]carbamic acid ethyl ester Formula: C23H30ClN4O5S+ MolecularWeight: 510.0261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1)CC2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1)CC2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN4O5S/c1-2-33-23(30)26-28(12-11-27(22(29)16-28)15-17-7-9-25-10-8-17)34(31,32)21-6-4-18-13-20(24)5-3-19(18)14-21/h3-6,13-14,17,25H,2,7-12,15-16H2,1H3/p+1