(3S)-N-cyclohexyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclohexyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclohexyl-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclohexyl-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclohexyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclohexyl-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C25H40N3O+ MolecularWeight: 398.6046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O/c29-25(26-23-11-5-2-6-12-23)22-10-7-16-28(20-22)24-14-18-27(19-15-24)17-13-21-8-3-1-4-9-21/h1,3-4,8-9,22-24H,2,5-7,10-20H2,(H,26,29)/p+1/t22-/m0/s1