ethyl N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O3/c1-2-31-25(30)26-22-11-6-9-20(17-22)24(29)28-15-13-27(14-16-28)18-21-10-5-8-19-7-3-4-12-23(19)21/h3-12,17H,2,13-16,18H2,1H3,(H,26,30)/p+1