tert-butyl N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)29-22(28)24-20-11-7-10-19(16-20)21(27)26-14-12-25(13-15-26)17-18-8-5-4-6-9-18/h4-11,16H,12-15,17H2,1-3H3,(H,24,28)/p+1