(E)-3-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-ethylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(1-cyclopentyl-2,5-dimethyl-3-pyrrolyl)-2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-ethylpiperazin-4-ium-1-carbonyl)acrylonitrile Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(=CC2=C(N(C(=C2)C)C3CCCC3)C)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C(=C/C2=C(N(C(=C2)C)C3CCCC3)C)/C#N

InChI

InChI=1S/C21H30N4O/c1-4-23-9-11-24(12-10-23)21(26)19(15-22)14-18-13-16(2)25(17(18)3)20-7-5-6-8-20/h13-14,20H,4-12H2,1-3H3/p+1/b19-14+