1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane

Systemtic Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Traditional Name: 1-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]azepane Formula: C24H33N2O+ MolecularWeight: 365.53162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O/c1-2-7-16-26(15-6-1)22-13-17-25(18-14-22)20-21-9-8-12-24(19-21)27-23-10-4-3-5-11-23/h3-5,8-12,19,22H,1-2,6-7,13-18,20H2/p+1