[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-ethylsulfonyl-4-piperidyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(1-ethylsulfonyl-4-piperidinyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-ethylsulfonylpiperidin-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-esyl-4-piperidyl)methanone Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-2-32(30,31)28-15-13-23(14-16-28)25(29)27-19-17-26(18-20-27)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3/p+1