[(3S)-1-[2-(benzotriazol-2-yl)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[2-(benzotriazol-2-yl)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(3S)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-benzyl-methyl-ammonium CAS Name: [(3S)-1-[2-(2-benzotriazolyl)-1-oxoethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(3S)-1-[2-(benzotriazol-2-yl)acetyl]piperidin-3-yl]-benzyl-methylazanium Traditional Name: [(3S)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-benzyl-methyl-ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H25N5O/c1-24(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(27)16-26-22-19-11-5-6-12-20(19)23-26/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/p+1/t18-/m0/s1