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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OC

InChI

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