(3S)-N-cyclopropyl-1-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C23H35N3O2/c1-2-28-22-7-3-5-18(15-22)16-25-13-10-21(11-14-25)26-12-4-6-19(17-26)23(27)24-20-8-9-20/h3,5,7,15,19-21H,2,4,6,8-14,16-17H2,1H3,(H,24,27)/p+1/t19-/m0/s1