tert-butyl N-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]carbamate CAS Name: N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidinyl)-1-benzimidazol-1-iumyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-1-yl]ethyl]carbamate Traditional Name: N-[2-[2-keto-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C32H45N4O3+ MolecularWeight: 533.7247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)NCC[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C32H44N4O3/c1-31(2,3)39-29(37)34-23-24-36(26-17-21-33-22-18-26)28-16-10-9-15-27(28)35(30(36)38)32(19-11-4-5-12-20-32)25-13-7-6-8-14-25/h6-10,13-16,26,33H,4-5,11-12,17-24H2,1-3H3/p+1