ethyl (3S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylnipecotic acid ethyl ester Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c1-2-32-25(29)23-14-9-15-28(20-23)33(30,31)27-18-16-26(17-19-27)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23-24H,2,9,14-20H2,1H3/p+1/t23-/m0/s1