(2R)-2-(1-methylpyrrol-2-yl)-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanenitrile

Systemtic Name: (2R)-2-(1-methylpyrrol-2-yl)-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanenitrile Openeye Name: (2R)-2-(1-benzylpiperidin-1-ium-4-yl)-2-(1-methylpyrrol-2-yl)acetonitrile CAS Name: (2R)-2-(1-methyl-2-pyrrolyl)-2-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetonitrile IUPAC Name: (2R)-2-(1-benzylpiperidin-1-ium-4-yl)-2-(1-methylpyrrol-2-yl)acetonitrile Traditional Name: (2R)-2-(1-benzylpiperidin-1-ium-4-yl)-2-(1-methylpyrrol-2-yl)acetonitrile Formula: C19H24N3+ MolecularWeight: 294.41396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C#N)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1[C@H](C#N)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3/c1-21-11-5-8-19(21)18(14-20)17-9-12-22(13-10-17)15-16-6-3-2-4-7-16/h2-8,11,17-18H,9-10,12-13,15H2,1H3/p+1/t18-/m1/s1