[4-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [4-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [4-[[1-[(3R)-3-phenylbutyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [4-[1-[(3R)-3-phenylbutyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C27H37N2O2+ MolecularWeight: 421.59488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H36N2O2/c1-22(23-8-4-2-5-9-23)14-19-28-20-15-26(16-21-28)31-25-12-10-24(11-13-25)27(30)29-17-6-3-7-18-29/h2,4-5,8-13,22,26H,3,6-7,14-21H2,1H3/p+1/t22-/m1/s1