[2-(azepan-1-yl)phenyl]-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium

Systemtic Name: [2-(azepan-1-yl)phenyl]-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium Openeye Name: [2-(azepan-1-yl)phenyl]-[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]ammonium CAS Name: [2-(1-azepanyl)phenyl]-[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]ammonium IUPAC Name: [2-(azepan-1-yl)phenyl]-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]azanium Traditional Name: [2-(azepan-1-yl)phenyl]-[2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl]ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2[NH2+]CC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2[NH2+]CC(=O)N3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H29N3OS/c26-22(25-15-7-11-20(25)21-12-8-16-27-21)17-23-18-9-3-4-10-19(18)24-13-5-1-2-6-14-24/h3-4,8-10,12,16,20,23H,1-2,5-7,11,13-15,17H2/p+1/t20-/m0/s1