3-azanyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]propanenitrile

Systemtic Name: 3-azanyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]propanenitrile Openeye Name: 3-amino-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]propanenitrile Traditional Name: 3-amino-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-ylidene]propionitrile Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O/c1-19-13-4-2-12(3-5-13)17-8-10-18(11-9-17)14(16)6-7-15/h2-5,16H,6,8-11H2,1H3/p+1