N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C22H26ClN4O5+ MolecularWeight: 461.91864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O5/c1-32-20-7-4-16(12-19(20)27(30)31)22(29)24-13-21(28)25-18-8-10-26(11-9-18)14-15-2-5-17(23)6-3-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,24,29)(H,25,28)/p+1