piperidin-1-yl-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [2-[1-[(4-isopropoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[2-[[1-[(4-propan-2-yloxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [2-[1-(4-isopropoxybenzyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

InChI

InChI=1S/C27H36N2O3/c1-21(2)31-23-12-10-22(11-13-23)20-28-18-14-24(15-19-28)32-26-9-5-4-8-25(26)27(30)29-16-6-3-7-17-29/h4-5,8-13,21,24H,3,6-7,14-20H2,1-2H3/p+1