(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl]ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-cyano-1,2-dimethylpyrrol-3-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl]ammonium Formula: C20H28N4+2 MolecularWeight: 324.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C[NH2+]C2CC[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+2