ethyl N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-4-30-24(29)25-22-7-5-6-21(16-22)23(28)27-14-12-26(13-15-27)17-19-8-10-20(11-9-19)18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,25,29)/p+1