(1-methylsulfonylpiperidin-4-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (1-methylsulfonylpiperidin-4-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1-methylsulfonyl-4-piperidyl)methanone CAS Name: (1-methylsulfonyl-4-piperidinyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1-mesyl-4-piperidyl)methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-12-8-18(9-13-22)19(23)21-11-5-10-20(14-15-21)16-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3/p+1