[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [1-(4-ethoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazino)methanone Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-4-23-12-14-25(15-13-23)22(26)19-8-10-24(11-9-19)17-18-6-7-20(28-5-2)21(16-18)27-3/h6-7,16,19H,4-5,8-15,17H2,1-3H3/p+1