(E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H30N4O/c1-22-14-16-24(17-15-22)21-20(25)11-8-18-6-9-19(10-7-18)23-12-4-2-3-5-13-23/h6-11H,2-5,12-17H2,1H3,(H,21,25)/p+1/b11-8+