N-(diphenylmethyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-benzhydryl-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(diphenylmethyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-benzhydryl-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c1-20-12-13-25-24(18-20)29-30-32(25)23-14-16-31(17-15-23)19-26(33)28-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23,27H,14-17,19H2,1H3,(H,28,33)/p+1