(3S)-N-cyclopropyl-1-[1-(2,6-dimethylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2,6-dimethylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2,6-dimethylbenzoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2,6-dimethylphenyl)-oxomethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2,6-dimethylbenzoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C23H33N3O2/c1-16-5-3-6-17(2)21(16)23(28)25-13-10-20(11-14-25)26-12-4-7-18(15-26)22(27)24-19-8-9-19/h3,5-6,18-20H,4,7-15H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1