N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide Openeye Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide CAS Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-3-methylbenzamide IUPAC Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-3-methylbenzamide Traditional Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3-methyl-benzamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c1-15-3-2-4-16(11-15)22(27)24-17-7-9-25(10-8-17)13-21(26)23-18-5-6-19-20(12-18)29-14-28-19/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,23,26)(H,24,27)/p+1