1-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-methyl-9H-$b-carboline-3-carboxamide Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2

InChI

InChI=1S/C25H26N4O/c1-17-24-21(20-9-5-6-10-22(20)28-24)15-23(26-17)25(30)27-19-11-13-29(14-12-19)16-18-7-3-2-4-8-18/h2-10,15,19,28H,11-14,16H2,1H3,(H,27,30)/p+1