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

Systemtic Name: [(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H31N3O2+2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H29N3O2/c1-20-9-11-22(12-10-20)19(23)17-6-4-8-21(15-17)14-16-5-3-7-18(13-16)24-2/h3,5,7,13,17H,4,6,8-12,14-15H2,1-2H3/p+2/t17-/m0/s1