[(4S)-4-phenylazepan-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: [(4S)-4-phenylazepan-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: [(4S)-4-phenylazepan-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone CAS Name: [(4S)-4-phenyl-1-azepanyl]-[1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolyl]methanone IUPAC Name: [(4S)-4-phenylazepan-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone Traditional Name: [(4S)-4-phenylazepan-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)N3CCCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)N3CCC[C@@H](CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-22(21-18-27(24-23-21)17-16-25-12-5-2-6-13-25)26-14-7-10-20(11-15-26)19-8-3-1-4-9-19/h1,3-4,8-9,18,20H,2,5-7,10-17H2/p+1/t20-/m0/s1