piperidin-1-yl-[4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [4-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[4-[[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [4-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H34N2O3/c1-2-20-31-26-9-5-4-8-23(26)21-28-18-14-25(15-19-28)32-24-12-10-22(11-13-24)27(30)29-16-6-3-7-17-29/h2,4-5,8-13,25H,1,3,6-7,14-21H2/p+1