(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C25H34N4O/c1-21-20-23(22(2)29(21)24-8-4-3-5-9-24)10-11-25(30)28-18-16-27(17-19-28)15-14-26-12-6-7-13-26/h3-5,8-11,20H,6-7,12-19H2,1-2H3/p+2/b11-10+