1-[4-[(2S)-butan-2-yl]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H29N3OS/c1-3-15(2)16-5-7-17(8-6-16)20-18(23)19-9-4-10-21-11-13-22-14-12-21/h5-8,15H,3-4,9-14H2,1-2H3,(H2,19,20,23)/p+1/t15-/m0/s1