1,5-dimethyl-4-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methyl]pyrrole-2-carbonitrile Openeye Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-2-pyrrolecarbonitrile IUPAC Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C20H27N4+ MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)CNC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)CNC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4/c1-16-18(12-20(13-21)23(16)2)14-22-19-8-10-24(11-9-19)15-17-6-4-3-5-7-17/h3-7,12,19,22H,8-11,14-15H2,1-2H3/p+1