2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]nicotinamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O3/c1-3-28-22-19(8-7-13-23-22)21(26)24-16-20(25-14-5-4-6-15-25)17-9-11-18(27-2)12-10-17/h7-13,20H,3-6,14-16H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1