1H-indol-2-ylmethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 1H-indol-2-ylmethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Openeye Name: 1H-indol-2-ylmethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium CAS Name: 1H-indol-2-ylmethyl-[1-[4-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1H-indol-2-ylmethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Traditional Name: 1H-indol-2-ylmethyl-[1-[4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H33N5O2/c33-26(31-25-7-3-4-14-28-27(25)34)19-8-10-23(11-9-19)32-15-12-21(13-16-32)29-18-22-17-20-5-1-2-6-24(20)30-22/h1-2,5-6,8-11,17,21,25,29-30H,3-4,7,12-16,18H2,(H,28,34)(H,31,33)/p+1/t25-/m0/s1