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

Systemtic Name: ethyl N-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[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=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

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

InChI

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