(3S)-N-cyclopropyl-1-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(3,5-dimethylbenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4)C

InChI

InChI=1S/C23H35N3O/c1-17-12-18(2)14-19(13-17)15-25-10-7-22(8-11-25)26-9-3-4-20(16-26)23(27)24-21-5-6-21/h12-14,20-22H,3-11,15-16H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1