3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-piperazin-4-ium-1-yl-benzamide

Systemtic Name: 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-piperazin-4-ium-1-yl-benzamide Openeye Name: 3-methyl-4-piperazin-4-ium-1-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 3-methyl-N-[[(2R)-2-oxolanyl]methyl]-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-piperazin-4-ium-1-ylbenzamide Traditional Name: 3-methyl-4-piperazin-4-ium-1-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCO2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@H]2CCCO2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O2/c1-13-11-14(17(21)19-12-15-3-2-10-22-15)4-5-16(13)20-8-6-18-7-9-20/h4-5,11,15,18H,2-3,6-10,12H2,1H3,(H,19,21)/p+1/t15-/m1/s1