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

Systemtic Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-pyrrolidino-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O/c1-15-5-4-10-19(13-15)14-16-6-8-17(9-7-16)18(21)20-11-2-3-12-20/h6-9,15H,2-5,10-14H2,1H3/p+1/t15-/m0/s1