N-[(2S)-butan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O/c1-3-20(2)25-24(28)22-11-18-27(19-12-22)23-13-16-26(17-14-23)15-7-10-21-8-5-4-6-9-21/h4-6,8-9,20,22-23H,3,7,10-19H2,1-2H3,(H,25,28)/p+1/t20-/m0/s1