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

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: (4-ethylpiperazino)-(1-veratrylpiperidin-1-ium-4-yl)methanone Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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