N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(4-dimethylaminophenyl)propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(4-dimethylaminophenyl)propanamide Openeye Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-(4-dimethylaminophenyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(4-dimethylaminophenyl)propanamide Traditional Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]propionamide Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCC(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCC(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H33N3O/c1-27(2)23-12-9-19(10-13-23)11-14-25(29)26-22-8-5-15-28(18-22)24-16-20-6-3-4-7-21(20)17-24/h3-4,6-7,9-10,12-13,22,24H,5,8,11,14-18H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1