(3-methoxyphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C21H34N2O2+2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H32N2O2/c1-16(2)22-12-9-19(10-13-22)23-11-5-7-18(15-23)21(24)17-6-4-8-20(14-17)25-3/h4,6,8,14,16,18-19H,5,7,9-13,15H2,1-3H3/p+2/t18-/m0/s1