2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-5-nitro-benzonitrile CAS Name: 2-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propylamino]-5-nitrobenzonitrile IUPAC Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-5-nitrobenzonitrile Traditional Name: 2-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propylamino]-5-nitro-benzonitrile Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H25N5O3/c1-29-20-6-3-18(4-7-20)25-13-11-24(12-14-25)10-2-9-23-21-8-5-19(26(27)28)15-17(21)16-22/h3-8,15,23H,2,9-14H2,1H3/p+1