(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-indan-5-yl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-indan-5-yl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N3O2/c1-17(23(27)24-20-7-6-18-4-3-5-19(18)16-20)25-12-14-26(15-13-25)21-8-10-22(28-2)11-9-21/h6-11,16-17H,3-5,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1