3-[methyl-[4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[methyl-[4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-methyl-4-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]anilino]propanenitrile CAS Name: 3-[N-methyl-4-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]anilino]propanenitrile IUPAC Name: 3-[N-methyl-4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]anilino]propanenitrile Traditional Name: 3-[4-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]-N-methyl-anilino]propionitrile Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H31N5O/c1-23(10-4-9-22)20-7-5-19(6-8-20)17-24-13-15-25(16-14-24)18-21(27)26-11-2-3-12-26/h5-8H,2-4,10-18H2,1H3/p+1