2,3-dihydro-1H-inden-2-yl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Openeye Name: indan-2-yl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Traditional Name: indan-2-yl-[1-[4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H34N4O2/c32-26(30-25-7-3-4-14-28-27(25)33)19-8-10-24(11-9-19)31-15-12-22(13-16-31)29-23-17-20-5-1-2-6-21(20)18-23/h1-2,5-6,8-11,22-23,25,29H,3-4,7,12-18H2,(H,28,33)(H,30,32)/p+1/t25-/m0/s1