azepan-1-yl-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[(4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-p-anisylpiperidin-1-ium-3-yl]methanone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O2/c1-24-19-10-8-17(9-11-19)15-21-12-6-7-18(16-21)20(23)22-13-4-2-3-5-14-22/h8-11,18H,2-7,12-16H2,1H3/p+1/t18-/m0/s1