5-azanyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 5-amino-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile CAS Name: 5-amino-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]benzonitrile IUPAC Name: 5-amino-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Traditional Name: 5-amino-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O/c1-23-17-5-3-16(4-6-17)21-8-10-22(11-9-21)18-7-2-15(20)12-14(18)13-19/h2-7,12H,8-11,20H2,1H3/p+1