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

Systemtic Name: (6-methoxynaphthalen-2-yl)-[(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]-(6-methoxy-2-naphthyl)methanone CAS Name: (6-methoxy-2-naphthalenyl)-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (6-methoxynaphthalen-2-yl)-[(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]-(6-methoxy-2-naphthyl)methanone Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C25H34N2O2/c1-18(2)26-13-10-23(11-14-26)27-12-4-5-22(17-27)25(28)21-7-6-20-16-24(29-3)9-8-19(20)15-21/h6-9,15-16,18,22-23H,4-5,10-14,17H2,1-3H3/p+2/t22-/m0/s1