2-naphthalen-2-ylethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-naphthalen-2-ylethyl-[1-[4-[[(3S)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Openeye Name: 2-(2-naphthyl)ethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]ammonium CAS Name: 2-(2-naphthalenyl)ethyl-[1-[4-[oxo-[[(3S)-2-oxo-3-azepanyl]amino]methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-naphthalen-2-ylethyl-[1-[4-[[(3S)-2-oxoazepan-3-yl]carbamoyl]phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-[[(3S)-2-ketoazepan-3-yl]carbamoyl]phenyl]-4-piperidyl]-[2-(2-naphthyl)ethyl]ammonium Formula: C30H37N4O2+ MolecularWeight: 485.64038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H36N4O2/c35-29(33-28-7-3-4-17-32-30(28)36)24-10-12-27(13-11-24)34-19-15-26(16-20-34)31-18-14-22-8-9-23-5-1-2-6-25(23)21-22/h1-2,5-6,8-13,21,26,28,31H,3-4,7,14-20H2,(H,32,36)(H,33,35)/p+1/t28-/m0/s1