(3S)-N-cyclopropyl-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-(1-neopentylpiperidin-1-ium-4-yl)nipecotamide Formula: C19H36N3O+ MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NC3CC3

InChI

InChI=1S/C19H35N3O/c1-19(2,3)14-21-11-8-17(9-12-21)22-10-4-5-15(13-22)18(23)20-16-6-7-16/h15-17H,4-14H2,1-3H3,(H,20,23)/p+1/t15-/m0/s1