azepan-1-yl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O/c1-17-7-6-12-21(15-17)16-18-8-10-19(11-9-18)20(23)22-13-4-2-3-5-14-22/h8-11,17H,2-7,12-16H2,1H3/p+1/t17-/m0/s1