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

Systemtic Name: [3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=CC(=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O/c1-15-4-3-9-20(13-15)14-16-5-2-6-17(12-16)18(22)21-10-7-19-8-11-21/h2,5-6,12,15,19H,3-4,7-11,13-14H2,1H3/p+2/t15-/m0/s1