4-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylamino]-3-nitro-benzonitrile Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O2/c1-16-3-2-4-18(13-16)24-11-9-23(10-12-24)8-7-22-19-6-5-17(15-21)14-20(19)25(26)27/h2-6,13-14,22H,7-12H2,1H3/p+1