2-[1-[3-(dimethylamino)propyl-methyl-carbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-[3-(dimethylamino)propyl-methyl-carbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-piperidyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-piperidinyl]ethyl ester IUPAC Name: 2-[1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-piperidyl]ethyl ester Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)N(C)CCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCCN2C(=O)N(C)CCCN(C)C

InChI

InChI=1S/C21H35N3O4S/c1-18-9-11-20(12-10-18)29(26,27)28-17-13-19-8-5-6-16-24(19)21(25)23(4)15-7-14-22(2)3/h9-12,19H,5-8,13-17H2,1-4H3