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

Systemtic Name: 5-methoxy-1-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]indole-2-carboxamide Openeye Name: 5-methoxy-1-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]indole-2-carboxamide CAS Name: 5-methoxy-1-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-indolecarboxamide IUPAC Name: 5-methoxy-1-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]indole-2-carboxamide Traditional Name: 5-methoxy-1-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]indole-2-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O2/c1-25-20-9-8-19(28-2)12-16(20)13-21(25)22(27)24-18-7-5-11-26(15-18)14-17-6-3-4-10-23-17/h3-4,6,8-10,12-13,18H,5,7,11,14-15H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1