N-methylmethanamine; (E)-3-phenyl-1-(1-phenylpiperazin-1-ium-1-yl)prop-2-en-1-one

Systemtic Name: N-methylmethanamine; (E)-3-phenyl-1-(1-phenylpiperazin-1-ium-1-yl)prop-2-en-1-one Openeye Name: N-methylmethanamine; (E)-3-phenyl-1-(1-phenylpiperazin-1-ium-1-yl)prop-2-en-1-one CAS Name: N-methylmethanamine; (E)-3-phenyl-1-(1-phenyl-1-piperazin-1-iumyl)-2-propen-1-one IUPAC Name: N-methylmethanamine; (E)-3-phenyl-1-(1-phenylpiperazin-1-ium-1-yl)prop-2-en-1-one Traditional Name: dimethylamine; (E)-3-phenyl-1-(1-phenylpiperazin-1-ium-1-yl)prop-2-en-1-one Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1C[N+](CCN1)(C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CNC.C1C[N+](CCN1)(C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H21N2O.C2H7N/c22-19(12-11-17-7-3-1-4-8-17)21(15-13-20-14-16-21)18-9-5-2-6-10-18;1-3-2/h1-12,20H,13-16H2;3H,1-2H3/q+1;/b12-11+;