N-(3-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H25N5O2/c1-15-6-7-20-19(12-15)23-24-26(20)17-8-10-25(11-9-17)14-21(27)22-16-4-3-5-18(13-16)28-2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,22,27)/p+1