(Z)-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(3-nitrophenyl)-3-(4-p-anisylpiperazin-4-ium-1-yl)acrylonitrile Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=CC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)/C(=C\C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-28-20-7-5-17(6-8-20)16-23-11-13-24(14-12-23)21(9-10-22)18-3-2-4-19(15-18)25(26)27/h2-9,15H,11-14,16H2,1H3/p+1/b21-9-