[2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [2-[[(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=C2C(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2C(=O)N3CC[NH2+]CC3

InChI

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