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azepan-1-yl-[(3R)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
azepan-1-yl-[(3R)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)OC4=CC=CC=C4
Isomeric SMILES
C1CCCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O2/c28-25(27-16-6-1-2-7-17-27)22-11-9-15-26(20-22)19-21-10-8-14-24(18-21)29-23-12-4-3-5-13-23/h3-5,8,10,12-14,18,22H,1-2,6-7,9,11,15-17,19-20H2/p+1/t22-/m1/s1
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