1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-benzyl-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H27N3S/c1-15-8-5-6-12-20(15)13-7-11-18-17(21)19-14-16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H2,18,19,21)/p+1/t15-/m0/s1