1-[(3S)-1-[(3-fluorophenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(3S)-1-[(3-fluorophenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3S)-1-[(3-fluorophenyl)methyl]-6-oxo-piperidine-3-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[(3S)-1-[(3-fluorophenyl)methyl]-6-oxo-3-piperidinyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3S)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3S)-1-(3-fluorobenzyl)-6-keto-nipecotoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C24H34FN4O3+ MolecularWeight: 445.550163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3CCC(=O)N(C3)CC4=CC(=CC=C4)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)[C@H]3CCC(=O)N(C3)CC4=CC(=CC=C4)F)C(=O)N

InChI

InChI=1S/C24H33FN4O3/c25-20-6-4-5-18(15-20)16-28-17-19(7-8-21(28)30)22(31)27-13-9-24(10-14-27,23(26)32)29-11-2-1-3-12-29/h4-6,15,19H,1-3,7-14,16-17H2,(H2,26,32)/p+1/t19-/m0/s1