2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]amino]-5-nitro-nicotinonitrile Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O2/c1-15-6-8-24(9-7-15)14-17-4-2-16(3-5-17)12-22-20-18(11-21)10-19(13-23-20)25(26)27/h2-5,10,13,15H,6-9,12,14H2,1H3,(H,22,23)/p+1