4-(2-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(o-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carboxamide CAS Name: 4-(2-methylphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(o-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carboxamide Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C18H28N4O/c1-16-6-2-3-7-17(16)21-12-14-22(15-13-21)18(23)19-8-11-20-9-4-5-10-20/h2-3,6-7H,4-5,8-15H2,1H3,(H,19,23)/p+1