[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxyphenyl]-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H41N3O3+2 MolecularWeight: 443.62204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CC[NH+](CC4)CC5CC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CC[NH+](CC4)CC5CC5

InChI

InChI=1S/C26H39N3O3/c1-31-23-8-9-25(32-22-10-12-28(13-11-22)21-4-2-3-5-21)24(18-23)26(30)29-16-14-27(15-17-29)19-20-6-7-20/h8-9,18,20-22H,2-7,10-17,19H2,1H3/p+2