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azepan-1-yl-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
azepan-1-yl-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
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Descriptors Computed from Structure
Canonical SMILES:
CCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3
Isomeric SMILES
CCOC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3
InChI
InChI=1S/C21H32N2O2/c1-2-25-20-11-9-18(10-12-20)16-22-13-7-8-19(17-22)21(24)23-14-5-3-4-6-15-23/h9-12,19H,2-8,13-17H2,1H3/p+1/t19-/m0/s1
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