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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C23H35N3O/c1-2-18-5-7-19(8-6-18)16-25-14-11-22(12-15-25)26-13-3-4-20(17-26)23(27)24-21-9-10-21/h5-8,20-22H,2-4,9-17H2,1H3,(H,24,27)/p+1/t20-/m0/s1