4-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C23H29N3O3/c1-29-21-13-11-20(12-14-21)25-23(28)18-7-9-19(10-8-18)24-22(27)17-26-15-5-3-2-4-6-16-26/h7-14H,2-6,15-17H2,1H3,(H,24,27)(H,25,28)/p+1