N-ethylethanamine; 1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-one

Systemtic Name: N-ethylethanamine; 1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-one Openeye Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-one; N-ethylethanamine CAS Name: N-ethylethanamine; 1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumone IUPAC Name: 1-benzyl-1-methylpyrrolidin-1-ium-3-one; N-ethylethanamine Traditional Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-one; diethylamine Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C[N+]1(CCC(=O)C1)CC2=CC=CC=C2

Isomeric SMILES

CCNCC.C[N+]1(CCC(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H16NO.C4H11N/c1-13(8-7-12(14)10-13)9-11-5-3-2-4-6-11;1-3-5-4-2/h2-6H,7-10H2,1H3;5H,3-4H2,1-2H3/q+1;