1-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]indole-3-carboxamide

Systemtic Name: 1-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]indole-3-carboxamide Openeye Name: 1-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]indole-3-carboxamide CAS Name: 1-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-indolecarboxamide IUPAC Name: 1-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]indole-3-carboxamide Traditional Name: 1-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]indole-3-carboxamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H24N4O/c1-24-15-19(18-9-2-3-10-20(18)24)21(26)23-17-8-6-12-25(14-17)13-16-7-4-5-11-22-16/h2-5,7,9-11,15,17H,6,8,12-14H2,1H3,(H,23,26)/p+1/t17-/m0/s1