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

Systemtic Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(1-o-veratrylpiperidin-1-ium-4-yl)methanone Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H33N3O3/c1-4-22-12-14-24(15-13-22)21(25)17-8-10-23(11-9-17)16-18-6-5-7-19(26-2)20(18)27-3/h5-7,17H,4,8-16H2,1-3H3/p+2