N-[[(3R)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(9-ethyl-3-carbazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CN=CC=C4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CN=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C27H30N4O/c1-2-31-25-10-4-3-9-23(25)24-15-20(11-12-26(24)31)18-30-14-6-7-21(19-30)16-29-27(32)22-8-5-13-28-17-22/h3-5,8-13,15,17,21H,2,6-7,14,16,18-19H2,1H3,(H,29,32)/p+1/t21-/m1/s1