4-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C18H22N3+ MolecularWeight: 280.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N3/c1-15-8-11-20(12-9-15)14-18-3-2-10-21(18)17-6-4-16(13-19)5-7-17/h2-7,10,15H,8-9,11-12,14H2,1H3/p+1