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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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