3-[1-(cyclohexen-1-ylcarbonyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(cyclohexen-1-ylcarbonyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(cyclohexene-1-carbonyl)-4-piperidyl]propanamide CAS Name: 3-[1-[1-cyclohexenyl(oxo)methyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(cyclohexene-1-carbonyl)-4-piperidyl]propionamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)N2CCC(CC2)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)C(=O)N2CCC(CC2)CCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O2/c30-25(27-24-15-16-28(20-24)19-22-7-3-1-4-8-22)12-11-21-13-17-29(18-14-21)26(31)23-9-5-2-6-10-23/h1,3-4,7-9,21,24H,2,5-6,10-20H2,(H,27,30)/p+1/t24-/m0/s1