[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (1-o-veratrylpiperidin-1-ium-4-yl)-(4-phenylpiperazino)methanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c1-30-23-10-6-7-21(24(23)31-2)19-26-13-11-20(12-14-26)25(29)28-17-15-27(16-18-28)22-8-4-3-5-9-22/h3-10,20H,11-19H2,1-2H3/p+1