methyl-[2-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]indan-2-yl]ammonium CAS Name: methyl-[2-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]-1,3-dihydroinden-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]-1,3-dihydroinden-2-yl]azanium Traditional Name: benzyl-[2-[[(3S)-2-ketoazepan-3-yl]carbamoyl]indan-2-yl]-methyl-ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NC4CCCCNC4=O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H29N3O2/c1-27(17-18-9-3-2-4-10-18)24(15-19-11-5-6-12-20(19)16-24)23(29)26-21-13-7-8-14-25-22(21)28/h2-6,9-12,21H,7-8,13-17H2,1H3,(H,25,28)(H,26,29)/p+1/t21-/m0/s1