4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H29N5O/c1-18-11-15-27(16-12-18)14-4-13-24-23(29)20-9-7-19(8-10-20)17-28-22-6-3-2-5-21(22)25-26-28/h2-3,5-10,18H,4,11-17H2,1H3,(H,24,29)/p+1