1-[4-[(2S)-butan-2-yl]phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(2S)-butan-2-yl]phenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3S/c1-3-18(2)20-9-11-21(12-10-20)24-23(27)25-22-13-15-26(16-14-22)17-19-7-5-4-6-8-19/h4-12,18,22H,3,13-17H2,1-2H3,(H2,24,25,27)/p+1/t18-/m0/s1