2-(1-prop-2-enylpiperazin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate

Systemtic Name: 2-(1-prop-2-enylpiperazin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate Openeye Name: 2-(1-allylpiperazin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-prop-2-enyl-1-piperazin-1-iumyl)ethyl ester IUPAC Name: 2-(1-prop-2-enylpiperazin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-allylpiperazin-1-ium-1-yl)ethyl ester Formula: C23H38N3O3+ MolecularWeight: 404.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCNCC2)CC=C

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCNCC2)CC=C

InChI

InChI=1S/C23H37N3O3/c1-3-5-6-7-10-19-28-22-12-9-8-11-21(22)25-23(27)29-20-18-26(15-4-2)16-13-24-14-17-26/h4,8-9,11-12,24H,2-3,5-7,10,13-20H2,1H3/p+1