N-[3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-3-oxidanylidene-propyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-3-oxidanylidene-propyl]pyridine-4-carboxamide Openeye Name: N-[3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-3-oxo-propyl]pyridine-4-carboxamide CAS Name: N-[3-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-3-oxopropyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]pyridine-4-carboxamide Traditional Name: N-[3-keto-3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]amino]propyl]isonicotinamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H30N4O2/c1-18-9-14-27(15-10-18)17-20-4-2-19(3-5-20)16-26-22(28)8-13-25-23(29)21-6-11-24-12-7-21/h2-7,11-12,18H,8-10,13-17H2,1H3,(H,25,29)(H,26,28)/p+1