ethyl 4-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C23H35N3O3/c1-3-29-23(28)26-14-10-21(11-15-26)22(27)24-16-19-4-6-20(7-5-19)17-25-12-8-18(2)9-13-25/h4-7,18,21H,3,8-17H2,1-2H3,(H,24,27)/p+1