4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-prop-2-enyl-butanamide

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-prop-2-enyl-butanamide Openeye Name: N-allyl-4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-butanamide CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxo-N-prop-2-enylbutanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-N-prop-2-enylbutanamide Traditional Name: N-allyl-4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-butyramide Formula: C24H30N3O2+ MolecularWeight: 392.5139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-2-15-25-22(28)13-14-23(29)26-16-18-27(19-17-26)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-12,24H,1,13-19H2,(H,25,28)/p+1