4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H32N4O3/c1-23-21(28)17-6-8-19(9-7-17)24-20(27)16-25-14-10-18(11-15-25)22(29)26-12-4-2-3-5-13-26/h6-9,18H,2-5,10-16H2,1H3,(H,23,28)(H,24,27)/p+1